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[双(4-氯亚苄基)-2,2-二甲基丙烷-1,3-二胺-κN,N']碘化亚铜

[N,N'-Bis(4-chlorobenzylidene)-2,2-dimethylpropane-1,3-diamine-κN,N']iodidocopper(I).

作者信息

Kia Reza, Fun Hoong-Kun, Kargar Hadi

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2009 Jan 17;65(Pt 2):m197. doi: 10.1107/S160053680900107X.

Abstract

The mol-ecule of the title compound, [CuI(C(19)H(20)Cl(2)N(2))], lies across a crystallographic mirror plane. The coordination around the copper centre is distorted trigonal planar, with a bite angle of 94.40 (7)°. A six-membered chelate ring is formed by the coordination of iminic N atoms of the bidentate ligand to the Cu(I) atom, adopting a chair conformation. This conformation is required if the local symmetry of the metal coordination site is in accordance with a mirror plane that passes through the metal atom normal to the line connecting the N atoms. The dihedral angle between the benzene rings is 78.66 (5)°. The crystal structure is stabilized by weak inter-molecular C-H⋯π inter-actions, which link the mol-ecules into chains along the b axis.

摘要

标题化合物[CuI(C₁₉H₂₀Cl₂N₂)]的分子位于一个晶体学镜面平面上。铜中心周围的配位呈扭曲的三角平面构型,咬角为94.40 (7)°。双齿配体的亚胺基N原子与Cu(I)原子配位形成一个六元螯合环,呈椅式构象。如果金属配位位点的局部对称性与一个垂直于连接N原子的直线且穿过金属原子的镜面平面一致,则需要这种构象。苯环之间的二面角为78.66 (5)°。晶体结构通过弱分子间C-H⋯π相互作用得以稳定,这些相互作用将分子沿b轴连接成链。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6dfd/2968316/7733cd4567f0/e-65-0m197-fig1.jpg

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